CID 247669

6,7-dimethylquinoxaline

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

CC1=CC2=NC=CN=C2C=C1C

InChI

InChI=1S/C10H10N2/c1-7-5-9-10(6-8(7)2)12-4-3-11-9/h3-6H,1-2H3

InChIKey

JOAAHJHQXOCSAW-UHFFFAOYSA-N

Compound name

6,7-dimethylquinoxaline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 137
Patents: 158.0844 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	159.091676	131.7
[M+Na]+	181.073618	142.2
[M-H]-	157.077124	134.1
[M+NH4]+	176.118223	151.5
[M+K]+	197.047558	138.9
[M+H-H2O]+	141.081660	124.5
[M+HCOO]-	203.082601	153.2
[M+CH3COO]-	217.098251	145.7
[M+Na-2H]-	179.059066	141.4
[M]+	158.08385142	132.5
[M]-	158.08494858	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe